(1-methylazetidin-3-yl)methanamine

C5H12N2 — CID 18712663

IUPAC(1-methylazetidin-3-yl)methanamine
SMILESCN1CC(CN)C1
InChIInChI=1S/C5H12N2/c1-7-3-5(2-6)4-7/h5H,2-4,6H2,1H3
InChIKeyRUZMJWPHZFXDSD-UHFFFAOYSA-N
MW100.17 g/mol
LogP-0.49
Rot. Bonds1

About (1-methylazetidin-3-yl)methanamine

(1-methylazetidin-3-yl)methanamine (PubChem CID 18712663) has the molecular formula C5H12N2 and a molecular weight of 100.17 g/mol. Its IUPAC name is (1-methylazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylazetidin-3-yl)methanamine
PubChem CID18712663
Molecular FormulaC5H12N2
Molecular Weight100.17 g/mol
Exact Mass100.10
IUPAC Name(1-methylazetidin-3-yl)methanamine
SMILESCN1CC(CN)C1
InChIInChI=1S/C5H12N2/c1-7-3-5(2-6)4-7/h5H,2-4,6H2,1H3
InChIKeyRUZMJWPHZFXDSD-UHFFFAOYSA-N
XLogP-0.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylazetidin-3-yl)methanamine?
The IUPAC name of (1-methylazetidin-3-yl)methanamine (CID 18712663) is (1-methylazetidin-3-yl)methanamine.
What is the SMILES notation for (1-methylazetidin-3-yl)methanamine?
The canonical SMILES for (1-methylazetidin-3-yl)methanamine is CN1CC(CN)C1.
What is the InChIKey of (1-methylazetidin-3-yl)methanamine?
The InChIKey is RUZMJWPHZFXDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-7-3-5(2-6)4-7/h5H,2-4,6H2,1H3.
What are the key properties of (1-methylazetidin-3-yl)methanamine?
(1-methylazetidin-3-yl)methanamine has a molecular weight of 100.17 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylazetidin-3-yl)methanamine is sourced from PubChem (CID 18712663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).